ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate

C15H20FNO2 — CID 11184669

IUPACethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccc(F)cc2)CCN(C)CC1
InChIInChI=1S/C15H20FNO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyCHOQGLPFQOQESN-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.35
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate

ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate (PubChem CID 11184669) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate
PubChem CID11184669
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccc(F)cc2)CCN(C)CC1
InChIInChI=1S/C15H20FNO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyCHOQGLPFQOQESN-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate (CID 11184669) is ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccc(F)cc2)CCN(C)CC1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate?
The InChIKey is CHOQGLPFQOQESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate?
ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 11184669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).